3-(3-carbamimidoylphenyl)-5-(phenoxymethyl)benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(phenoxymethyl)benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-(phenoxymethyl)benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-(phenoxymethyl)benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(phenoxymethyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-(phenoxymethyl)benzoic acid Formula: C21H18N2O3 MolecularWeight: 346.37922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C21H18N2O3/c22-20(23)16-6-4-5-15(11-16)17-9-14(10-18(12-17)21(24)25)13-26-19-7-2-1-3-8-19/h1-12H,13H2,(H3,22,23)(H,24,25)